2-[2,3-di(heptacosa-8,10-diynoyloxy)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2,3-di(heptacosa-8,10-diynoyloxy)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2,3-di(heptacosa-8,10-diynoyloxy)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2,3-bis(1-oxoheptacosa-8,10-diynoxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2,3-di(heptacosa-8,10-diynoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2,3-di(heptacosa-8,10-diynoyloxy)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C62H109NO8P+ MolecularWeight: 1027.504521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC#CC#CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC#CC#CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC#CC#CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC#CC#CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C62H108NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54-61(64)68-58-60(59-70-72(66,67)69-57-56-63(3,4)5)71-62(65)55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h60H,6-35,44-59H2,1-5H3/p+1